Geometry & MOs

Info

ID:	317376
PubChem CID:	126636934
Reduced:	NO3C11H12 (2)
Stoich.:	AB3C11D12 (2)
Weight, g/mol:	257.073805
ΔH_f, kcal/mol:	-110.32
Dipole, Da:	2.51
IP(EA), eV:	-8.83(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3,5-dichlorophenyl)ethyl]piperidine

Drug info:

PubChemData

Smile

C[C@H]1[C@@H](/C=C\C(=O)C([C@H](C/C=C/C2=C3C(=CC(=C2C(=O)O1)O)N(C=N3)C)O)O)C=C

DOS

IR

Vibrations